ethane;2,3,7-trimethylquinazolin-4-one

C13H18N2O — CID 177158450

IUPACethane;2,3,7-trimethylquinazolin-4-one
SMILESCC.Cc1ccc2c(=O)n(C)c(C)nc2c1
InChIInChI=1S/C11H12N2O.C2H6/c1-7-4-5-9-10(6-7)12-8(2)13(3)11(9)14;1-2/h4-6H,1-3H3;1-2H3
InChIKeyOBCMLJMDBPDQHO-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.58
Rot. Bonds

About ethane;2,3,7-trimethylquinazolin-4-one

ethane;2,3,7-trimethylquinazolin-4-one (PubChem CID 177158450) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is ethane;2,3,7-trimethylquinazolin-4-one.

Molecular Properties

Compound Nameethane;2,3,7-trimethylquinazolin-4-one
PubChem CID177158450
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Nameethane;2,3,7-trimethylquinazolin-4-one
SMILESCC.Cc1ccc2c(=O)n(C)c(C)nc2c1
InChIInChI=1S/C11H12N2O.C2H6/c1-7-4-5-9-10(6-7)12-8(2)13(3)11(9)14;1-2/h4-6H,1-3H3;1-2H3
InChIKeyOBCMLJMDBPDQHO-UHFFFAOYSA-N
XLogP2.58
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;2,3,7-trimethylquinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(aminomethyl)-3,7-dimethylquinazolin-4-one
CID 84777308
2-acetyl-3,7-dimethylquinazolin-4-one
CID 84784682
2,3-dimethylbenzo[g]quinazolin-4-one
CID 95562416
2,3-dimethyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one
CID 20799410
7-(4,5-dihydro-1,3-oxazol-2-yl)-2,3-dimethylquinazolin-4-one
CID 20800098
2-amino-3,6-dimethylquinazolin-4-one;ethane
CID 155705578
1,3,8-trimethylpyrimido[4,5-b]quinoline-2,4-dione
CID 2785860
2,3-dimethylthieno[3,4-d]pyrimidin-4-one
CID 59961683
2-(2,3-dimethyl-4-oxoquinazolin-6-yl)acetamide
CID 123402793
8-methyl-[1,3]thiazolo[2,3-b]quinazoline-3,5-dione
CID 102502109
3-hydroxy-7-methyl-1,2,3-benzotriazin-4-one
CID 11401090
9-tert-butyl-3,6-dimethylacridine
CID 159242363

Frequently Asked Questions

What is the IUPAC name of ethane;2,3,7-trimethylquinazolin-4-one?
The IUPAC name of ethane;2,3,7-trimethylquinazolin-4-one (CID 177158450) is ethane;2,3,7-trimethylquinazolin-4-one.
What is the SMILES notation for ethane;2,3,7-trimethylquinazolin-4-one?
The canonical SMILES for ethane;2,3,7-trimethylquinazolin-4-one is CC.Cc1ccc2c(=O)n(C)c(C)nc2c1.
What is the InChIKey of ethane;2,3,7-trimethylquinazolin-4-one?
The InChIKey is OBCMLJMDBPDQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O.C2H6/c1-7-4-5-9-10(6-7)12-8(2)13(3)11(9)14;1-2/h4-6H,1-3H3;1-2H3.
What are the key properties of ethane;2,3,7-trimethylquinazolin-4-one?
ethane;2,3,7-trimethylquinazolin-4-one has a molecular weight of 218.30 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,3,7-trimethylquinazolin-4-one is sourced from PubChem (CID 177158450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).